SCHEMBL7787068

SCHEMBL7787068

C=C(c1ccc(C(C)(C)c2ccc(C(=C)c3ccccc3C)cc2)cc1)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18787988 0.87 MAOA (0.46) ESR1ALDH1A1NPC1RAB9AMAOA
SCHEMBL16105416 0.81 AKR1C3 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL29883083 0.81 KMT2A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL6445437 0.81 KMT2A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL739381 0.79 ESR1 (0.54) SMN1; SMN2ESR1ESR2CYP3A4ALDH1A1
SCHEMBL4585193 0.76 KMT2A (0.47) SMN1; SMN2ESR1ALDH1A1NPC1RAB9A
SCHEMBL31555031 0.76 RXRA (0.53) SMN1; SMN2TP53ESR1ALDH1A1HPGD
SCHEMBL2771852 0.76 MAOA (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL7787065 0.75 TSHR (0.46) SMN1; SMN2ESR1ESR2CYP3A4ALDH1A1
SCHEMBL23927108 0.74 MAOA (0.40) SMN1; SMN2NPC1RAB9AMAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044226-B1 METHOD FOR COUPLING LIVING CATIONIC POLYMERS DOW CORNING (US) 2001-11-21 EP disclosed
US-6194597-B1 REACTING CATIONICALLY POLYMERIZABLE MONOMER(ISOBUTYLENE, ISOPRENE) WITH SILYL GROUP CONTAINING INITIATOR IN PRESENCE OF LEWIS ACID TO FORM LIVING CATIONIC POLYMER CONTAINING SILIY GROUPS DOW CORNING CORPORATION 2001-02-27 US disclosed
US-6051657-A Silyl-functional living cationic polymers DOW CORNING ASIA, LTD. (JP) 2000-04-18 US disclosed
US-6046281-A REACTING A LIVING CATIONIC POLYMER WITH AN ORGANIC COMPOUND HAVING AT LEAST 2 FURAN RINGS IN ITS MOLECULE, SUCH AS DIFURANYLHEXANE IN THE PRESENCE OF A LEWIS ACID UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2000-04-04 US disclosed
US-5981785-A Silyl-functional initiator for living cationic polymerization UNIVERSITY OF MASSACHUSETTS (US) 1999-11-09 US disclosed